4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one

C17H17FN2O2 — CID 68614609

IUPAC4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C17H17FN2O2/c18-13-3-1-12(2-4-13)11-22-16-7-5-15(6-8-16)20-10-14(19)9-17(20)21/h1-8,14H,9-11,19H2
InChIKeyZHPITBUQXWAQMI-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one

4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one (PubChem CID 68614609) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
PubChem CID68614609
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C17H17FN2O2/c18-13-3-1-12(2-4-13)11-22-16-7-5-15(6-8-16)20-10-14(19)9-17(20)21/h1-8,14H,9-11,19H2
InChIKeyZHPITBUQXWAQMI-UHFFFAOYSA-N
XLogP2.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973
(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
CID 68614864
1-[4-[(3-fluorophenyl)methoxy]phenyl]-4-methylpyrrolidin-2-one
CID 122492399
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
1-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 7546128
[1-[4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidin-3-yl] hydrogen carbonate
CID 67411336

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one (CID 68614609) is 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(OCc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
The InChIKey is ZHPITBUQXWAQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-13-3-1-12(2-4-13)11-22-16-7-5-15(6-8-16)20-10-14(19)9-17(20)21/h1-8,14H,9-11,19H2.
What are the key properties of 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one?
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one has a molecular weight of 300.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 68614609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).